SCHEMBL7323323

SCHEMBL7323323

N#CCCN1C(=O)C(O)N=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.49
OPRK1 P41145 3/20 0.49
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GHSR Q92847 2/20 0.49
MC3R P41968 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
CASP3 P42574 2/20 0.37
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7321294 0.89 OPRK1 (0.50) CCKBROPRK1GABRA1GABRG2GABRB3
SCHEMBL7328677 0.88 LMNA (0.47) CCKBROPRK1GABRA1GABRG2GABRB3
Cinolazepam SCHEMBL415075 0.85 OPRK1 (0.53) CCKBROPRK1GHSRCHRM2ADRA2A
Cinolazepam SCHEMBL30338063 0.85 OPRK1 (0.53) CCKBROPRK1GHSRCHRM2ADRA2A
Cinolazepam SCHEMBL4457397 0.85 OPRK1 (0.53) CCKBROPRK1GHSRCHRM2ADRA2A
SCHEMBL10968440 0.83 CCKBR (0.64) CCKBROPRK1GABRA1GABRG2GABRB3
SCHEMBL7330064 0.75 OPRK1 (0.67) CCKBROPRK1GHSRCHRM2ADRA2A
SCHEMBL11072521 0.74 CCKBR (0.63) CCKBROPRK1GABRA1GABRG2GABRB3
SCHEMBL11467693 0.74 GABRA1 (0.50) CCKBROPRK1GABRA1GABRG2GABRB3
SCHEMBL11074960 0.74 CCKBR (0.66) CCKBROPRK1GABRA1GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US claimed
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US disclosed